D458-0167 Screening compound: 2-[2-(2-chlorophenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-1-(4-ethylpiperazin-1-yl)ethan-1-one
Chemical Structure Depiction of ChemDiv screening compound D458-0167
2-[2-(2-chlorophenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-1-(4-ethylpiperazin-1-yl)ethan-1-one
Available from 1 mg
Formats:
- Glass Vials (4ml Glass Vials VWR #97047-678)
- 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)
Shiptime: 1 week worldwide delivery in most cases
Compound Identifiers
ChemDiv Compound ID
D458-0167
Molecular Formula
C21H25ClN6O (C21 H25 ClN6 O)
Compound Name
2-[2-(2-chlorophenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-1-(4-ethylpiperazin-1-yl)ethan-1-one
IUPAC name
2-[2-(2-chlorophenyl)-57-dimethyl-[124]triazolo[15-a]pyrimidin-6-yl]-1-(4-ethylpiperazin-1-yl)ethan-1-one
SMILES
CCN(CC1)CCN1C(Cc1c(C)n2nc(-c(cccc3)c3Cl)nc2nc1C)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
412.92
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
5.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
2.335
Distribution Coefficient, logD
2.040
Water Solubility, LogSw
-3.28
Polar Surface Area
50.762
Acid Dissociation Constant (pKa)
12.55
Base Dissociation Constant (pKb)
7.39
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
42.90
D458-0167 in Drug Discovery
Included in Screening Libraries
Neurotransmitter Transporter Inhibitors Library (11024 compounds)
Protein Kinases Inhibitors Library (36801 compounds)
Ion Channels Focused Library (26372 compounds)
Included in 1.7M Stock Database
- Nervous system
- Cancer
- Digestive system
- Respiratory tract
- Otorhinolaryngologic
- Nervous system
- Hemic and lymphatic
- Cardiovascular
- Nervous system
- Cardiovascular
- GPCR
- Ion Channels
- Kinases
- Ion Channels
References: we are preparing a list of scientific research reports with D458-0167 chemical compound. It will be published here after verification.
Frequently Asked Questions
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Available from 1 mg in Glass Vials or 96-tube racks.
ChemDiv sends parcels with Express services (UPS, WC).
- 1–2 days for small orders
- 2–4 weeks for large selections
- 0.5–50 mg of dry powder sample in single glass vials, custom vials
- DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)